N-benzyl-2-methyl-N-pyridin-2-ylpropanamide

C16H18N2O — CID 669246

IUPACN-benzyl-2-methyl-N-pyridin-2-ylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-13(2)16(19)18(15-10-6-7-11-17-15)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyUSQHVHOTPALDAI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.27
Rot. Bonds4

About N-benzyl-2-methyl-N-pyridin-2-ylpropanamide

N-benzyl-2-methyl-N-pyridin-2-ylpropanamide (PubChem CID 669246) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-pyridin-2-ylpropanamide
PubChem CID669246
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-benzyl-2-methyl-N-pyridin-2-ylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-13(2)16(19)18(15-10-6-7-11-17-15)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyUSQHVHOTPALDAI-UHFFFAOYSA-N
XLogP3.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-pyridin-2-ylpropanamide?
The IUPAC name of N-benzyl-2-methyl-N-pyridin-2-ylpropanamide (CID 669246) is N-benzyl-2-methyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-benzyl-2-methyl-N-pyridin-2-ylpropanamide is CC(C)C(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-methyl-N-pyridin-2-ylpropanamide?
The InChIKey is USQHVHOTPALDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(2)16(19)18(15-10-6-7-11-17-15)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-N-pyridin-2-ylpropanamide?
N-benzyl-2-methyl-N-pyridin-2-ylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 669246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).